CONVALLATOXIN
- Product NameCONVALLATOXIN
- CAS508-75-8
- MFC29H42O10
- MW550.64
- EINECS208-086-3
- MOL File508-75-8.mol
Chemical Properties
| Melting point | 238-239℃ (water ) |
| alpha | D22 -1.7 ± 3° (c = 0.65 in methanol); D25 -9.4 ± 3° (c = 0.72 in dioxane) |
| Boiling point | 542°C (rough estimate) |
| Density | 1.41±0.1 g/cm3 (20 ºC 760 Torr) |
| refractive index | 1.5376 (estimate) |
| storage temp. | Store at -20°C |
| solubility | Soluble in DMSO |
| pka | 13.04±0.70(Predicted) |
| form | Solid |
| color | White to Off-White |
| Merck | 13,2538 |
| Stability | Hygroscopic |
| Major Application | food and beverages |
| InChIKey | HULMNSIAKWANQO-BUBSWJANNA-N |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O |
Safety Information
| RIDADR | 3249 |
| WGK Germany | 2 |
| RTECS | GL4025000 |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral |
| Hazardous Substances Data | 508-75-8(Hazardous Substances Data) |
| Toxicity | LD50 in mice, rats (mg/kg): 10.0 i.p., 16.0 i.v. (Frster) |
